N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C8H10F3N — CID 142171966

IUPACN-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCNC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C8H10F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h3,5,12H,2,4H2,1H3
InChIKeyLCPGMATZPYRGPJ-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.37
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 142171966) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID142171966
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCNC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C8H10F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h3,5,12H,2,4H2,1H3
InChIKeyLCPGMATZPYRGPJ-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
CID 89045004
CID 89045004
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 89209299
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
(2Z,4Z)-1,1,1-trifluoro-N-methyl-4-(trifluoromethyl)octa-2,4-dien-2-amine
CID 117913821
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
2-chloro-6-fluoro-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 129296289
(3Z)-3-ethyl-N-(2,2,2-trifluoroethyl)hepta-1,3-dien-4-amine
CID 130413491
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
CID 134365643
(3E,5E)-5-(1,2-difluoroethylidene)-4-fluoro-N-methylocta-1,3,7-trien-3-amine
CID 134383256
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
CID 134405604

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 142171966) is N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CNC1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is LCPGMATZPYRGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h3,5,12H,2,4H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142171966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).